Sugi Predict

Sugi Predict / Compounds / SCHEMBL4453448

SCHEMBL4453448

SCHEMBL4453448

O=Cc1ccc(C#Cc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ESR2 Q92731 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL547869 0.89 HTT (0.44) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL11678689 0.89 HTT (0.44) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL10740141 0.89 HTT (0.44) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL3438249 0.87 HDAC1 (0.46) KMT2AHTTLMNAHDAC8HDAC6
SCHEMBL3243130 0.85 ESR2 (0.46) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL21752934 0.79 HAO1 (0.48) KMT2ARAB9AMEN1NPC1POLB
SCHEMBL19218160 0.79 CYP2A6 (0.44) POLBALDH1A1KDM4EESR2
SCHEMBL741455 0.79 CYP2A6 (0.44) POLBALDH1A1KDM4EESR2
SCHEMBL10476961 0.78 APP (0.48) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL8384841 0.77 CYP2A6 (0.50) ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 — — US claimed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 — — US claimed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 — — EP claimed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 — — US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 — — US disclosed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 — — EP disclosed
EP-1675813-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES Applied Research Systems ARS Holding N.V. (NL) 2006-07-05 — — EP disclosed
WO-2005037758-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-04-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK KMT2A 3190/4885RAB9A 2016/4885MEN1 2106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.